9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene

C52H34 — CID 171447346

IUPAC9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3c(-c4cccc5ccccc45)cccc3-c3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C52H34/c1-2-17-35(18-3-1)40-25-8-9-26-43(40)50-46-27-10-12-29-48(46)52(49-30-13-11-28-47(49)50)51-44(41-31-14-21-36-19-4-6-23-38(36)41)33-16-34-45(51)42-32-15-22-37-20-5-7-24-39(37)42/h1-34H
InChIKeyLRCWUHNPOVUTQI-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.63
Rot. Bonds5

About 9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene

9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene (PubChem CID 171447346) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene
PubChem CID171447346
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3c(-c4cccc5ccccc45)cccc3-c3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C52H34/c1-2-17-35(18-3-1)40-25-8-9-26-43(40)50-46-27-10-12-29-48(46)52(49-30-13-11-28-47(49)50)51-44(41-31-14-21-36-19-4-6-23-38(36)41)33-16-34-45(51)42-32-15-22-37-20-5-7-24-39(37)42/h1-34H
InChIKeyLRCWUHNPOVUTQI-UHFFFAOYSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
CID 166133941
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
CID 173119187
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994
1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
CID 176639500
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene
CID 58323303
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
9-(2-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-phenylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 158722566
9-(2-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 144568898
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene?
The IUPAC name of 9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene (CID 171447346) is 9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene.
What is the SMILES notation for 9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene?
The canonical SMILES for 9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3c(-c4cccc5ccccc45)cccc3-c3cccc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene?
The InChIKey is LRCWUHNPOVUTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-2-17-35(18-3-1)40-25-8-9-26-43(40)50-46-27-10-12-29-48(46)52(49-30-13-11-28-47(49)50)51-44(41-31-14-21-36-19-4-6-23-38(36)41)33-16-34-45(51)42-32-15-22-37-20-5-7-24-39(37)42/h1-34H.
What are the key properties of 9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene?
9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene has a molecular weight of 658.84 g/mol, XLogP of 14.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene is sourced from PubChem (CID 171447346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).